Geometry & MOs

Info

ID:

113526

PubChem CID:

50449707

Reduced:

FN6O6C39H41 (1)

Stoich.:

AB6C6D39E41 (1)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-221.02

Dipole, Da:

5.73

IP(EA), eV:

 -8.53(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-fluorobenzoyl)amino]-4-methoxyanilino]-3-oxopropyl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)F)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations